2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol

C13H14N6O — CID 107065645

IUPAC2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cnn(-c3ccccc3)n2)nn1
InChIInChI=1S/C13H14N6O/c1-18-9-10(15-17-18)7-13(20)12-8-14-19(16-12)11-5-3-2-4-6-11/h2-6,8-9,13,20H,7H2,1H3
InChIKeyJQKPHGFTHOFQNO-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.67
Rot. Bonds4

About 2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol

2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol (PubChem CID 107065645) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol
PubChem CID107065645
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cnn(-c3ccccc3)n2)nn1
InChIInChI=1S/C13H14N6O/c1-18-9-10(15-17-18)7-13(20)12-8-14-19(16-12)11-5-3-2-4-6-11/h2-6,8-9,13,20H,7H2,1H3
InChIKeyJQKPHGFTHOFQNO-UHFFFAOYSA-N
XLogP0.67
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 105091547
2-(1-methyltriazol-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 107064195
[2-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)ethyl]hydrazine
CID 105291066
1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046191
3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 114983866
[2-(1-methyltriazol-4-yl)-1-(1-phenylpyrazol-3-yl)ethyl]hydrazine
CID 107066649
3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 103027965
3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine
CID 103030204
2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol
CID 107046422
1-(6-methyl-3-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046410
2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 114013665
1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046440

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol (CID 107065645) is 2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2cnn(-c3ccccc3)n2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol?
The InChIKey is JQKPHGFTHOFQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-18-9-10(15-17-18)7-13(20)12-8-14-19(16-12)11-5-3-2-4-6-11/h2-6,8-9,13,20H,7H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol?
2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol has a molecular weight of 270.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol is sourced from PubChem (CID 107065645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).